TL;DR: rel-(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxylic acid (CAS 1354452-36-0) is a chemical compound with molecular formula C10H14N2O5S and molecular weight 274.06235 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxylic acid
Also Known As: BAS 12738161, rel-(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxylic acid, ((3,5-DIMETHYLISOXAZOL-4-YL)SULFONYL)-D-PROLINE, (2S)-1-(dimethyl-1,2-oxazole-4-sulfonyl)pyrrolidine-2-carboxylic acid, (2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxylic acid
| Molecular Formula | C10H14N2O5S |
| Molecular Weight | 274.06235 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.06235 Da |
| Heavy Atoms | 18 |
| Complexity | 432.0 |
| SMILES | CC1=C(C(=NO1)C)S(=O)(=O)N2CCC[C@@H]2C(=O)O |
| InChIKey | WIHCNDLCRKFZTR-MRVPVSSYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rel-(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxylic acid. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for rel-(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, rel-(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxylic acid has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of rel-(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxylic acid is 1354452-36-0.
The molecular formula of rel-(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxylic acid is C10H14N2O5S.
The molecular weight of rel-(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxylic acid is 274.06235 g/mol.
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